5IHC
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![BU of 5ihc by Molmil](/molmil-images/mine/5ihc) | MELK in complex with NVS-MELK12B | Descriptor: | 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase | Authors: | Sprague, E.R, Brazell, T. | Deposit date: | 2016-02-29 | Release date: | 2016-06-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
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4YE4
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![BU of 4ye4 by Molmil](/molmil-images/mine/4ye4) | Crystal Structure of Neutralizing Antibody HJ16 in Complex with HIV-1 gp120 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HT593.1 gp120, Heavy chain human antibody HJ16, ... | Authors: | Kwong, P.D, Chen, L, Zhou, T. | Deposit date: | 2015-02-23 | Release date: | 2015-07-22 | Last modified: | 2022-03-30 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors. Cell, 161, 2015
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4YJQ
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![BU of 4yjq by Molmil](/molmil-images/mine/4yjq) | SYK kinase domain in complex with inhibitor GTC000224 | Descriptor: | 3-[1H-indazol-4-yl(2-{[3-(4-methyl-1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)amino]propan-1-ol, Tyrosine-protein kinase SYK | Authors: | Somers, D.O, Neu, M, Stuckey, J. | Deposit date: | 2015-03-03 | Release date: | 2015-09-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor. Bioorg. Med. Chem. Lett., 21, 2011
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4YJR
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![BU of 4yjr by Molmil](/molmil-images/mine/4yjr) | SYK kinase domain in complex with inhibitor GTC000225 | Descriptor: | 3-(1H-indazol-4-yl{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol, Tyrosine-protein kinase SYK | Authors: | Somers, D.O, Neu, M, Stuckey, J. | Deposit date: | 2015-03-03 | Release date: | 2015-09-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor. Bioorg. Med. Chem. Lett., 21, 2011
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1TZB
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![BU of 1tzb by Molmil](/molmil-images/mine/1tzb) | Crystal structure of native phosphoglucose/phosphomannose isomerase from Pyrobaculum aerophilum | Descriptor: | GLYCEROL, SULFATE ION, glucose-6-phosphate isomerase, ... | Authors: | Swan, M.K, Hansen, T, Schoenheit, P, Davies, C. | Deposit date: | 2004-07-09 | Release date: | 2004-07-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | A novel phosphoglucose/phosphomannose isomease from the crenarchaeon Pyrobaculum aerophilum is a member of the PGI superfamily: structural evidence at 1.16 A resolution J.Biol.Chem., 279, 2004
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4YX5
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![BU of 4yx5 by Molmil](/molmil-images/mine/4yx5) | SpaO(SPOA1,2) | Descriptor: | CHLORIDE ION, Surface presentation of antigens protein SpaO | Authors: | Notti, R.Q, Stebbins, C.E. | Deposit date: | 2015-03-22 | Release date: | 2015-06-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9001 Å) | Cite: | A common assembly module in injectisome and flagellar type III secretion sorting platforms. Nat Commun, 6, 2015
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1PUD
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![BU of 1pud by Molmil](/molmil-images/mine/1pud) | TRNA-GUANINE TRANSGLYCOSYLASE | Descriptor: | TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION | Authors: | Romier, C, Reuter, K, Suck, D, Ficner, R. | Deposit date: | 1996-06-28 | Release date: | 1997-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of tRNA-guanine transglycosylase: RNA modification by base exchange. EMBO J., 15, 1996
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4E05
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![BU of 4e05 by Molmil](/molmil-images/mine/4e05) | Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ... | Authors: | Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B. | Deposit date: | 2012-03-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.304 Å) | Cite: | Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector. Proc.Natl.Acad.Sci.USA, 109, 2012
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3NM8
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![BU of 3nm8 by Molmil](/molmil-images/mine/3nm8) | Crystal structure of Tyrosinase from Bacillus megaterium | Descriptor: | CHLORIDE ION, COPPER (II) ION, Tyrosinase, ... | Authors: | Sendovski, M, Kanteev, M, Adir, N, Fishman, A. | Deposit date: | 2010-06-22 | Release date: | 2010-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | First structures of an active bacterial tyrosinase reveal copper plasticity J.Mol.Biol., 405, 2011
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4E06
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![BU of 4e06 by Molmil](/molmil-images/mine/4e06) | Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ... | Authors: | Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B. | Deposit date: | 2012-03-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.196 Å) | Cite: | Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector. Proc.Natl.Acad.Sci.USA, 109, 2012
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4PY4
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![BU of 4py4 by Molmil](/molmil-images/mine/4py4) | |
5A8D
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![BU of 5a8d by Molmil](/molmil-images/mine/5a8d) | The high resolution structure of a novel alpha-L-arabinofuranosidase (CtGH43) from Clostridium thermocellum ATCC 27405 | Descriptor: | ACETATE ION, CARBOHYDRATE BINDING FAMILY 6, GLYCEROL, ... | Authors: | Goyal, A, Ahmed, S, Sharma, K, Fontes, C.M.G.A, Najmudin, S. | Deposit date: | 2015-07-14 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Molecular determinants of substrate specificity revealed by the structure of Clostridium thermocellum arabinofuranosidase 43A from glycosyl hydrolase family 43 subfamily 16. Acta Crystallogr D Struct Biol, 72, 2016
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5IH9
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![BU of 5ih9 by Molmil](/molmil-images/mine/5ih9) | MELK in complex with NVS-MELK8A | Descriptor: | 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine, Maternal embryonic leucine zipper kinase | Authors: | Sprague, E.R, Puleo, D.E. | Deposit date: | 2016-02-29 | Release date: | 2016-06-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
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5IH8
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![BU of 5ih8 by Molmil](/molmil-images/mine/5ih8) | MELK in complex with NVS-MELK1 | Descriptor: | Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide | Authors: | Sprague, E.R, Puleo, D.E. | Deposit date: | 2016-02-29 | Release date: | 2016-06-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
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2WDC
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![BU of 2wdc by Molmil](/molmil-images/mine/2wdc) | Termus thermophilus Sulfate thiohydrolase SoxB in complex with glycerol | Descriptor: | ACETATE ION, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Sauve, V, Roversi, P, Leath, K.J, Garman, E.F, Antrobus, R, Lea, S.M, Berks, B.C. | Deposit date: | 2009-03-24 | Release date: | 2009-06-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanism for the Hydrolysis of a Sulfur-Sulfur Bond Based on the Crystal Structure of the Thiosulfohydrolase Soxb. J.Biol.Chem., 284, 2009
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4E6S
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![BU of 4e6s by Molmil](/molmil-images/mine/4e6s) | Crystal structure of the SCAN domain from mouse Zfp206 | Descriptor: | Zinc finger and SCAN domain-containing protein 10 | Authors: | Liang, Y, Choo, S.H, Rossbach, M, Baburajendran, N, Palasingam, P, Kolatkar, P.R. | Deposit date: | 2012-03-15 | Release date: | 2012-05-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal optimization and preliminary diffraction data analysis of the SCAN domain of Zfp206. Acta Crystallogr.,Sect.F, 68, 2012
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4X62
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![BU of 4x62 by Molmil](/molmil-images/mine/4x62) | Crystal Structure of 30S ribosomal subunit from Thermus thermophilus | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D. | Deposit date: | 2014-12-06 | Release date: | 2015-11-18 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (3.4492 Å) | Cite: | N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics. Nat.Struct.Mol.Biol., 23, 2016
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4X65
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![BU of 4x65 by Molmil](/molmil-images/mine/4x65) | Crystal Structure of 30S ribosomal subunit from Thermus thermophilus | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D. | Deposit date: | 2014-12-06 | Release date: | 2015-11-18 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (3.345 Å) | Cite: | N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics. Nat.Struct.Mol.Biol., 23, 2016
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6ESQ
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![BU of 6esq by Molmil](/molmil-images/mine/6esq) | Structure of the acetoacetyl-CoA thiolase/HMG-CoA synthase complex from Methanothermococcus thermolithotrophicus soaked with acetyl-CoA | Descriptor: | CHLORIDE ION, COENZYME A, HydroxyMethylGlutaryl-CoA synthase, ... | Authors: | Voegeli, B, Engilberge, S, Girard, E, Riobe, F, Maury, O, Erb, J.T, Shima, S, Wagner, T. | Deposit date: | 2017-10-24 | Release date: | 2018-03-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Archaeal acetoacetyl-CoA thiolase/HMG-CoA synthase complex channels the intermediate via a fused CoA-binding site. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4XDK
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![BU of 4xdk by Molmil](/molmil-images/mine/4xdk) | Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with norfluoxetine | Descriptor: | (3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Pike, A.C.W, Dong, Y.Y, Mackenzie, A, Mukhopadhyay, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2014-12-19 | Release date: | 2015-03-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac. Science, 347, 2015
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4EQ5
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![BU of 4eq5 by Molmil](/molmil-images/mine/4eq5) | DNA ligase from the archaeon Thermococcus sibiricus | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA ligase | Authors: | Petrova, T, Bezsudnova, E.Y, Dorokhov, B.D, Slutskaya, E.S, Polyakov, K.M, Dorovatovskiy, P.V, Ravin, N.V, Skryabin, K.G, Kovalchuk, M.V, Popov, V.O. | Deposit date: | 2012-04-18 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Expression, purification, crystallization and preliminary crystallographic analysis of a thermostable DNA ligase from the archaeon Thermococcus sibiricus. Acta Crystallogr.,Sect.F, 68, 2012
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3N0H
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![BU of 3n0h by Molmil](/molmil-images/mine/3n0h) | hDHFR double mutant Q35S/N64F Trimethoprim Binary Complex | Descriptor: | Dihydrofolate reductase, SULFATE ION, TRIMETHOPRIM | Authors: | Cody, V. | Deposit date: | 2010-05-14 | Release date: | 2011-09-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystallographic analysis reveals a novel second binding site for trimethoprim in active site double mutants of human dihydrofolate reductase. J.Struct.Biol., 176, 2011
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5G2O
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![BU of 5g2o by Molmil](/molmil-images/mine/5g2o) | Yersinia pestis FabV variant T276A | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | Authors: | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | Deposit date: | 2016-04-11 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase. Biochemistry, 55, 2016
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5ISY
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![BU of 5isy by Molmil](/molmil-images/mine/5isy) | Crystal structure of Nudix family protein with NAD | Descriptor: | NADH pyrophosphatase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | Authors: | Zhang, D, Guan, Z, Zou, T, Yin, P. | Deposit date: | 2016-03-15 | Release date: | 2016-09-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.354 Å) | Cite: | Structural basis of prokaryotic NAD-RNA decapping by NudC Cell Res., 26, 2016
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3N25
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![BU of 3n25 by Molmil](/molmil-images/mine/3n25) | The structure of muscle pyruvate kinase in complex with proline, pyruvate, and Mn2+ | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Fenton, A.W, Johnson, T.A, Holyoak, T. | Deposit date: | 2010-05-17 | Release date: | 2010-07-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | The pyruvate kinase model system, a cautionary tale for the use of osmolyte perturbations to support conformational equilibria in allostery. Protein Sci., 19, 2010
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